methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate

C8H15NO2 — CID 22942268

IUPACmethyl (2S)-2-[cyclopropyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11-3)9(2)7-4-5-7/h6-7H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWNIIRSKZBDUMFC-LURJTMIESA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds3

About methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate

methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate (PubChem CID 22942268) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[cyclopropyl(methyl)amino]propanoate
PubChem CID22942268
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (2S)-2-[cyclopropyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C1CC1
InChIInChI=1S/C8H15NO2/c1-6(8(10)11-3)9(2)7-4-5-7/h6-7H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWNIIRSKZBDUMFC-LURJTMIESA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate (CID 22942268) is methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate is COC(=O)[C@H](C)N(C)C1CC1.
What is the InChIKey of methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate?
The InChIKey is WNIIRSKZBDUMFC-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11-3)9(2)7-4-5-7/h6-7H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate?
methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[cyclopropyl(methyl)amino]propanoate is sourced from PubChem (CID 22942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).